Binding information for 2bmg_ligand_5_71.mol2(FDBF01194)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2bmg_ligand_5_71.mol2 | 2bmg | 0.595506 | -6.05 | CCOc1cccc(C(=O)NC)c1 | 13 |
Structure and binding mode of 2bmg_ligand_5_71.mol2(FDBF01194)
Important binding residues for 2bmg_ligand_5_71.mol2(FDBF01194)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2bmg | GLN192 | -1.08 | -0.73 | -1.81 | 0.86 | -0.95 |
| 2bmg | GLY216 | -1.31 | -2.02 | -3.33 | 1.47 | -1.87 |
| 2bmg | GLU217 | -1.29 | -1.97 | -3.26 | -0.58 | -3.84 |
| 2bmg | CYS220 | -0.72 | 0.22 | -0.5 | -0.48 | -0.98 |
